SCHEMBL4798598

SCHEMBL4798598

Nc1c(Cl)cc(CCC(=O)N2CCN(C3CN4CCC3CC4)CC2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
RAMP1 O60894 1/20 0.37
CALCRL Q16602 1/20 0.37
BDKRB1 P46663 2/20 0.35
ADRB2 P07550 2/20 0.35
EPHX2 P34913 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4798589 0.84 TEAD1 (0.36) RAMP1CALCRLBDKRB1ADRB2EPHX2
SCHEMBL4849670 0.78 RAMP1 (0.45) CNR1RAMP1CALCRLEPHX2KMT2A
SCHEMBL4804847 0.77 OPRD1 (0.43) CNR1RAMP1CALCRLADRB2EPHX2
SCHEMBL7290995 0.66 HTR3A (0.55) MEN1KMT2A
SCHEMBL5248989 0.65 RAMP1 (0.42) RAMP1CALCRLADRB2EPHX2
SCHEMBL13361289 0.64 RAMP1 (0.48) RAMP1CALCRLADRB2EPHX2
SCHEMBL3309774 0.63 NAAA (0.40) ADRB2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3309780 0.63 NAAA (0.40) ADRB2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3314758 0.62 RAMP1 (0.59) RAMP1CALCRLADRB2EPHX2
SCHEMBL3314750 0.62 RAMP1 (0.59) RAMP1CALCRLADRB2EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CNR1 91/4885RAMP1 46/4885CALCRL 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.